CID 154834009

N-(4-{2-[(6-chloropyridin-3-yl)amino]-1,3-thiazol-4-yl}phenyl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C15H13ClN4O2S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN4O2S2/c1-24(21,22)20-11-4-2-10(3-5-11)13-9-23-15(19-13)18-12-6-7-14(16)17-8-12/h2-9,20H,1H3,(H,18,19)
InChIKey
PVNLBNZIROOTQY-UHFFFAOYSA-N
Compound name
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.01685 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.024126 183.3
[M+Na]+ 403.006068 193.7
[M-H]- 379.009574 191.4
[M+NH4]+ 398.050673 195.5
[M+K]+ 418.980008 185.6
[M+H-H2O]+ 363.014110 176.0
[M+HCOO]- 425.015051 193.3
[M+CH3COO]- 439.030701 193.7
[M+Na-2H]- 400.991516 186.1
[M]+ 380.01630142 187.8
[M]- 380.01739858 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.